1-pentadecanoyl-2-heptadecanoyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol

Properties Image MNX_ID MNXM111419 reference slm:000172981 formula C57H102O6 global charge 0 mol weight 883.437 InChIKey WIYNEVGMEDLXJC-NWOIPSGQSA-N InChI InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,33,35,54H,4-15,17-18,20-24,26,28,31-32,34,36-53H2,1-3H3/b19-16-,27-25-,30-29-,35-33-/t54-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,33,35,54H,4-15,17-18,20-24,26,28,31-32,34,36-53H2,1-3H3/b19-16-,27-25-,30-29-,35-33-/t54-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:33]=[CH:35]\[CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][C@@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:32][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0